SCHEMBL6532241

SCHEMBL6532241

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)/C(C)=N/OCc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALKBH1 Q13686 1/20 0.40
MAOB P27338 1/20 0.38
PPARA Q07869 10/20 0.37
PPARG P37231 9/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 1/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6532248 1.00 MME (0.41) MMEACECPA1ACE2ALKBH1
SCHEMBL6533595 0.93 MME (0.44) MMEACECPA1ACE2ALKBH1
SCHEMBL6533602 0.93 MME (0.44) MMEACECPA1ACE2ALKBH1
SCHEMBL6532384 0.91 PPARG (0.43) MMEACECPA1ACE2ALKBH1
SCHEMBL6534036 0.89 MAOB (0.42) ALKBH1MAOBPPARAPPARG
SCHEMBL6534033 0.89 MAOB (0.42) ALKBH1MAOBPPARAPPARG
SCHEMBL6532687 0.85 LTA4H (0.43) MMEACECPA1ACE2PPARA
SCHEMBL6532682 0.85 LTA4H (0.43) MMEACECPA1ACE2PPARA
SCHEMBL6532332 0.85 PTGS2 (0.41) ALKBH1PPARAPPARGPTGS2MEN1
SCHEMBL6532337 0.85 PTGS2 (0.41) ALKBH1PPARAPPARGPTGS2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed